SCHEMBL838783

SCHEMBL838783

Brc1cccc(CN2CCSCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
KDM4E B2RXH2 3/20 0.49
CXCR4 P61073 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2A13 Q16696 1/20 0.42
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ACHE P22303 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL839038 0.83 FAAH (0.53) FAAHKDM4ECXCR4ALDH1A1POLB
SCHEMBL29462386 0.80 FAAH (0.54) FAAHKDM4ECXCR4ALDH1A1MEN1
SCHEMBL31372331 0.80 CXCR4 (0.77) FAAHKDM4ECXCR4ALDH1A1MEN1
SCHEMBL5253618 0.80 FAAH (0.54) FAAHKDM4ECXCR4DRD2DRD3
SCHEMBL5255062 0.80 FAAH (0.54) FAAHKDM4ECXCR4ALDH1A1MEN1
SCHEMBL465778 0.80 CXCR4 (0.77) FAAHKDM4ECXCR4ALDH1A1MEN1
SCHEMBL3853383 0.80 CXCR4 (0.65) FAAHCXCR4ALDH1A1MEN1KMT2A
SCHEMBL28021131 0.78 FAAH (0.49) FAAHKDM4ECXCR4ALDH1A1DRD2
SCHEMBL840048 0.78 KMT2A (0.59) FAAHKDM4ECXCR4ALDH1A1NPC1
SCHEMBL5346199 0.78 FAAH (0.52) FAAHKDM4ECXCR4ALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
EP-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 FAAH 801/4885KDM4E 2573/4885CXCR4 473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.